[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine

C17H17FN4 — CID 82198604

IUPAC[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-n2nnc(CN)c2-c2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FN4/c1-11-6-7-16(12(2)8-11)22-17(15(10-19)20-21-22)13-4-3-5-14(18)9-13/h3-9H,10,19H2,1-2H3
InChIKeyVYEWCYNTNDYVSA-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.15
Rot. Bonds3

About [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine

[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine (PubChem CID 82198604) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
PubChem CID82198604
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
SMILESCc1ccc(-n2nnc(CN)c2-c2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FN4/c1-11-6-7-16(12(2)8-11)22-17(15(10-19)20-21-22)13-4-3-5-14(18)9-13/h3-9H,10,19H2,1-2H3
InChIKeyVYEWCYNTNDYVSA-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[1-(3-chloro-2-methylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine
CID 94937203
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[1-(2,3-dimethylphenyl)-5-(4-fluorophenyl)triazol-4-yl]methanamine
CID 82195761
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
[5-(3,4-difluorophenyl)-1-(2,3-dimethylphenyl)triazol-4-yl]methanamine
CID 94936044
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
1-(2,4-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940423
[5-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)triazol-4-yl]methanamine
CID 94938674
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine (CID 82198604) is [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine is Cc1ccc(-n2nnc(CN)c2-c2cccc(F)c2)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine?
The InChIKey is VYEWCYNTNDYVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-11-6-7-16(12(2)8-11)22-17(15(10-19)20-21-22)13-4-3-5-14(18)9-13/h3-9H,10,19H2,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine?
[1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine has a molecular weight of 296.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82198604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).